1-[2-(dimethylamino)-1,3,4-trimethyl-2H-pyrimidin-4-yl]ethanone

C11H21N3O — CID 87459557

IUPAC1-[2-(dimethylamino)-1,3,4-trimethyl-2H-pyrimidin-4-yl]ethanone
SMILESCC(=O)C1(C)C=CN(C)C(N(C)C)N1C
InChIInChI=1S/C11H21N3O/c1-9(15)11(2)7-8-13(5)10(12(3)4)14(11)6/h7-8,10H,1-6H3
InChIKeyOMLMUIPQYRJRRY-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.57
Rot. Bonds2

About 1-[2-(dimethylamino)-1,3,4-trimethyl-2H-pyrimidin-4-yl]ethanone

1-[2-(dimethylamino)-1,3,4-trimethyl-2H-pyrimidin-4-yl]ethanone (PubChem CID 87459557) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-1,3,4-trimethyl-2H-pyrimidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(dimethylamino)-1,3,4-trimethyl-2H-pyrimidin-4-yl]ethanone
PubChem CID87459557
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-[2-(dimethylamino)-1,3,4-trimethyl-2H-pyrimidin-4-yl]ethanone
SMILESCC(=O)C1(C)C=CN(C)C(N(C)C)N1C
InChIInChI=1S/C11H21N3O/c1-9(15)11(2)7-8-13(5)10(12(3)4)14(11)6/h7-8,10H,1-6H3
InChIKeyOMLMUIPQYRJRRY-UHFFFAOYSA-N
XLogP0.57
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-1,3,4-trimethyl-2H-pyrimidin-4-yl]ethanone?
The IUPAC name of 1-[2-(dimethylamino)-1,3,4-trimethyl-2H-pyrimidin-4-yl]ethanone (CID 87459557) is 1-[2-(dimethylamino)-1,3,4-trimethyl-2H-pyrimidin-4-yl]ethanone.
What is the SMILES notation for 1-[2-(dimethylamino)-1,3,4-trimethyl-2H-pyrimidin-4-yl]ethanone?
The canonical SMILES for 1-[2-(dimethylamino)-1,3,4-trimethyl-2H-pyrimidin-4-yl]ethanone is CC(=O)C1(C)C=CN(C)C(N(C)C)N1C.
What is the InChIKey of 1-[2-(dimethylamino)-1,3,4-trimethyl-2H-pyrimidin-4-yl]ethanone?
The InChIKey is OMLMUIPQYRJRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(15)11(2)7-8-13(5)10(12(3)4)14(11)6/h7-8,10H,1-6H3.
What are the key properties of 1-[2-(dimethylamino)-1,3,4-trimethyl-2H-pyrimidin-4-yl]ethanone?
1-[2-(dimethylamino)-1,3,4-trimethyl-2H-pyrimidin-4-yl]ethanone has a molecular weight of 211.31 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-1,3,4-trimethyl-2H-pyrimidin-4-yl]ethanone is sourced from PubChem (CID 87459557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).